Excited-state dynamics of pentafluorobenzene is studied in detail for a quartic vibronic coupling model including the six b₁ vibrational modes of the molecule and the two lowest excited electronic states. The study analyzes the influence of the large-amplitude out-of-plane vibrational motion on the electronic dynamics and extends to the simulation of the emerging time-resolved photoelectron spectra. The mapping of coherent non-separable electron-nuclear motion into oscillatory photoelectron signals is discussed.

中文翻译：

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使用时间分辨光电子能谱对光激发的五氟苯中的大幅度平面外运动成像：计算研究

详细研究了五氟苯的四态振动耦合模型的激发态动力学，该模型包括分子的六个b ₁振动模式和两个最低激发电子态。该研究分析了大振幅面外振动运动对电子动力学的影响，并扩展到了新兴的时间分辨光电子光谱的仿真。讨论了相干不可分离的电子核运动到振荡光电子信号的映射。